Structural stability and electronic properties of multi-functionalized two-dimensional chromium carbides

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• 作者：Minyeong Je ; Youngbin Lee ; Yong-Chae Chungp> ; p>p>yongchae@hanyang.ac.krp>
• 关键词：Cr2C-based MXene ; Different functional group ; Magnetic properties ; Electronic properties ; Density functional theory
• 刊名：Thin Solid Films
• 出版年：2016
• 出版时间：30 November 2016
• 年：2016
• 卷：619
• 期：Complete
• 页码：131-136
• 全文大小：1106 K
• 卷排序：619

文摘

Investigation on the possibility of expecting the properties of Cr2CF(OH). The possible structures of Cr2CF(OH) were confirmed using phonon dispersion curves. The Cr2CF(OH) shows the ferrimagnetism and indirect semiconductor characteristics. Each functional group had little effect on the properties of the other side.